SCHEMBL287258

SCHEMBL287258

COc1ccc(C(=O)CN2CCCC(C(=O)NNS(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM2B Q8NHM5 3/20 0.46
GFER P55789 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL660456 0.89 ALDH1A1 (0.55) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL287096 0.87 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2AKDM2B
SCHEMBL287681 0.79 ALDH1A1 (0.55) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL298004 0.75 GFER (0.52) ALDH1A1HTTMEN1KMT2AGFER
SCHEMBL287138 0.70 GFER (0.52) ALDH1A1HTTMEN1KMT2AGFER
SCHEMBL15935698 0.69 ALDH1A1 (0.94) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL5722877 0.69 MMP1 (0.56) ALDH1A1GFER
SCHEMBL9079388 0.69 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2AKDM2B
SCHEMBL15503835 0.68 ALDH1A1 (0.97) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL6398848 0.67 ALDH1A1 (0.62) ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885HTT 75/4885POLB 2267/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.